(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
TL;DR: (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine (CAS 3337-06-2) is a chemical compound with molecular formula C13H20N2 and molecular weight 204.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine
Also Known As: N-Isopropyl-2-(isopropylamino)troponimine, (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine, 1-isopropylamino-7-isopropylimino-1,3,5-cyclo-heptatriene, 1-(Isopropylamino)-7-(isopropylimino)-1,3,5-cycloheptatriene, 1-(Isopropylamino)-7-(isopropylimino)cyclohepta-1,3,5-triene
| Molecular Formula | C13H20N2 |
|---|---|
| Molecular Weight | 204.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 24.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.16264 |
| Heavy Atoms | 15 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 3337-06-2 |
|---|---|
| SMILES | CC(C)NC1=CC=CC=CC1=NC(C)C |
| InChIKey | AELLFKPPLQHPRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine (CAS 3337-06-2), with molecular formula C13H20N2 and molecular weight 204.16 g/mol. IUPAC: N-propan-2-yl-7-propan-2-yliminocyclohepta-1,3,5-trien-1-amine.
Chemical Property Profile of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
Property Insights of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine
The XLogP value of 3.5 indicates that (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.4 Ų, (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine?
The CAS number of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine is 3337-06-2.
What is the molecular formula of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine?
The molecular formula of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine is C13H20N2.
What is the molecular weight of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine?
The molecular weight of (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine is 204.16 g/mol.
Where can I buy (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine?
You can request a quote for (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine?
Yes, KEHONG BIO provides custom synthesis services for (E)-N-isopropyl-7-(isopropylimino)cyclohepta-1,3,5-trienamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.